tert-butyl 2-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonyl-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenoxy]carbonyl-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenoxy]carbonyl-methyl-amino]acetate CAS Name: 2-[[[4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenoxy]-oxomethyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenoxy]carbonyl-methylamino]acetate Traditional Name: 2-[[4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenoxy]carbonyl-methyl-amino]acetic acid tert-butyl ester Formula: C28H33NO9S MolecularWeight: 559.62792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N(C)CC(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N(C)CC(=O)OC(C)(C)C)OC)OC

InChI

InChI=1S/C28H33NO9S/c1-16(2)35-21-14-20-24(26(34-8)25(21)33-7)19(30)13-23(37-20)39-18-11-9-17(10-12-18)36-27(32)29(6)15-22(31)38-28(3,4)5/h9-14,16H,15H2,1-8H3